2,2-dimethyl-N-propylidenepropanamide

C8H15NO — CID 58485285

IUPAC2,2-dimethyl-N-propylidenepropanamide
SMILESCC/C=N/C(=O)C(C)(C)C
InChIInChI=1S/C8H15NO/c1-5-6-9-7(10)8(2,3)4/h6H,5H2,1-4H3/b9-6+
InChIKeyKXZZOUPOMMCEEI-RMKNXTFCSA-N
MW141.21 g/mol
LogP2.04
Rot. Bonds1

About 2,2-dimethyl-N-propylidenepropanamide

2,2-dimethyl-N-propylidenepropanamide (PubChem CID 58485285) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2,2-dimethyl-N-propylidenepropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-propylidenepropanamide
PubChem CID58485285
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2,2-dimethyl-N-propylidenepropanamide
SMILESCC/C=N/C(=O)C(C)(C)C
InChIInChI=1S/C8H15NO/c1-5-6-9-7(10)8(2,3)4/h6H,5H2,1-4H3/b9-6+
InChIKeyKXZZOUPOMMCEEI-RMKNXTFCSA-N
XLogP2.04
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propylidenepropanamide?
The IUPAC name of 2,2-dimethyl-N-propylidenepropanamide (CID 58485285) is 2,2-dimethyl-N-propylidenepropanamide.
What is the SMILES notation for 2,2-dimethyl-N-propylidenepropanamide?
The canonical SMILES for 2,2-dimethyl-N-propylidenepropanamide is CC/C=N/C(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-propylidenepropanamide?
The InChIKey is KXZZOUPOMMCEEI-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-6-9-7(10)8(2,3)4/h6H,5H2,1-4H3/b9-6+.
What are the key properties of 2,2-dimethyl-N-propylidenepropanamide?
2,2-dimethyl-N-propylidenepropanamide has a molecular weight of 141.21 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propylidenepropanamide is sourced from PubChem (CID 58485285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).